MMsINC Database Search


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MMsINC code: MMs02364841

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(C(=O)Nc1cc(OC(=O)NC)ccc1)C1CCCCC1

InChI:

InChI=1/C15H20N2O4/c1-16-14(18)21-13-9-5-6-11(10-13)17-15(19)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1387 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -3.32231	SlogP: 3.286	Reactive groups: 0

Topological Properties
Globularity: 0.0606226	Sterimol/B1: 2.33277	Sterimol/B2: 3.47851	Sterimol/B3: 3.82067
Sterimol/B4: 8.79913	Sterimol/L: 15.1258

Surface and Volume Properties
Accessible surface: 567.677	Positive charged surface: 418.846	Negative charged surface: 148.831	Volume: 281.5
Hydrophobic surface: 447.289	Hydrophilic surface: 120.388

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.